pyridin-2-ylmethyl N,N'-bis(3-methoxyphenyl)carbamimidothioate

Systemtic Name: pyridin-2-ylmethyl N,N'-bis(3-methoxyphenyl)carbamimidothioate Openeye Name: 1,3-bis(3-methoxyphenyl)-2-(2-pyridylmethyl)isothiourea CAS Name: N,N'-bis(3-methoxyphenyl)carbamimidothioic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl N,N'-bis(3-methoxyphenyl)carbamimidothioate Traditional Name: 1,3-bis(3-methoxyphenyl)-2-(2-pyridylmethyl)isothiourea Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)NC(=NC2=CC(=CC=C2)OC)SCC3=CC=CC=N3

Isomeric SMILES

COC1=CC=CC(=C1)NC(=NC2=CC(=CC=C2)OC)SCC3=CC=CC=N3

InChI

InChI=1S/C21H21N3O2S/c1-25-19-10-5-8-16(13-19)23-21(27-15-18-7-3-4-12-22-18)24-17-9-6-11-20(14-17)26-2/h3-14H,15H2,1-2H3,(H,23,24)